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* [[Small molecules]] how to process difficult datasets, or those with few reflections | * [[Small molecules]] how to process difficult datasets, or those with few reflections | ||
* worked-out '''examples''': see in particular the five projects ([[2QVO]], [[3CSL]], [[simulated-1g1c]], [[1Y13]] and [[2VB1]]) at the bottom of [[Quality Control]]. | * worked-out '''examples''': see in particular the five projects ([[2QVO]], [[3CSL]], [[simulated-1g1c]], [[1Y13]] and [[2VB1]]) at the bottom of [[Quality Control]]. | ||
* XDSGUI | * [[XDSGUI]] | ||
== Typical procedures == | == Typical procedures == | ||
Revision as of 18:10, 12 March 2016
Programs
- XDS
- XSCALE
- XDSCONV
- VIEW (obsolete)
- XDS-Viewer open-source VIEW replacement
- XDSSTAT (this is not part of the XDS package)
- Jiffies (little helpful scripts)
- SIM_MX (this is not part of the XDS package)
- adxv (this is not part of the XDS package)
- XDSGUI (this is not part of the XDS package)
Using XDS
- XDS.INP
- generate_XDS.INP - quick procedure to obtain XDS.INP for MarCCD, ADSC, Pilatus detectors
- Tutorial Quick beginner's walk-through if you just want to get going.
- FAQ
- Processing
- IDXREF with subtopics Obtaining ORGX ORGY, Ice rings, Indexing, Reindexing
- CORRECT
- Small molecules how to process difficult datasets, or those with few reflections
- worked-out examples: see in particular the five projects (2QVO, 3CSL, simulated-1g1c, 1Y13 and 2VB1) at the bottom of Quality Control.
- XDSGUI
Typical procedures
- Space group determination, see also Reindexing and Indexing
- Optimization, subtopics MINIMUM_ZETA, Aliens, see also Ice rings
- Determining VALUE_RANGE_FOR_TRUSTED_DETECTOR_PIXELS
- Tips and Tricks
- Scaling with SCALA
XDS development
- INTEGRATE - how does INTEGRATE work?
- Quality Control
- Known Bugs
- Wishlist
- Features that are not officially documented
external Links
- xia2 Automated Data Reduction